N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide

C34H22N4O3S — CID 163347634

IUPACN-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(NC(=O)c2cccc3ccccc23)s1)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C34H22N4O3S/c39-31(27-16-8-14-22-10-6-7-15-26(22)27)36-33-30(23-11-2-1-3-12-23)35-34(42-33)37-32(40)28-20-29(41-38-28)25-18-17-21-9-4-5-13-24(21)19-25/h1-20H,(H,36,39)(H,35,37,40)
InChIKeyJBVKZHUDMRRENL-UHFFFAOYSA-N
MW566.64 g/mol
LogP8.28
Rot. Bonds6

About N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide

N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 163347634) has the molecular formula C34H22N4O3S and a molecular weight of 566.64 g/mol. Its IUPAC name is N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID163347634
Molecular FormulaC34H22N4O3S
Molecular Weight566.64 g/mol
Exact Mass566.14
IUPAC NameN-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(NC(=O)c2cccc3ccccc23)s1)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C34H22N4O3S/c39-31(27-16-8-14-22-10-6-7-15-26(22)27)36-33-30(23-11-2-1-3-12-23)35-34(42-33)37-32(40)28-20-29(41-38-28)25-18-17-21-9-4-5-13-24(21)19-25/h1-20H,(H,36,39)(H,35,37,40)
InChIKeyJBVKZHUDMRRENL-UHFFFAOYSA-N
XLogP8.28
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.64
LogP ≤ 58.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 46300005
5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 46087304
N-(5-benzamido-4-phenyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 46300012
ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065632
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 19203542
N-[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]naphthalene-1-carboxamide
CID 163347610
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 46092588
ethyl N-[5-(naphthalene-2-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065559
N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 139582756
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43989111

Frequently Asked Questions

What is the IUPAC name of N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide (CID 163347634) is N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2cccc3ccccc23)s1)c1cc(-c2ccc3ccccc3c2)on1.
What is the InChIKey of N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is JBVKZHUDMRRENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O3S/c39-31(27-16-8-14-22-10-6-7-15-26(22)27)36-33-30(23-11-2-1-3-12-23)35-34(42-33)37-32(40)28-20-29(41-38-28)25-18-17-21-9-4-5-13-24(21)19-25/h1-20H,(H,36,39)(H,35,37,40).
What are the key properties of N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?
N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 566.64 g/mol, XLogP of 8.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 163347634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).